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(5Z)-3-[4-(1,3-BENZODIOXOL-5-YLMETHYLAMINO)-BUTYL]-5-(1,3-BENZODIOXOL-5-YLMETHYLENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
SpectraBase Compound ID 1Lvpn0FhnEV
InChI InChI=1S/C23H22N2O5S2/c26-22-21(11-15-3-5-17-19(9-15)29-13-27-17)32-23(31)25(22)8-2-1-7-24-12-16-4-6-18-20(10-16)30-14-28-18/h3-6,9-11,24H,1-2,7-8,12-14H2/b21-11-
InChIKey WYIXLSPKHOPIMD-NHDPSOOVSA-N
Mol Weight 470.56 g/mol
Molecular Formula C23H22N2O5S2
Exact Mass 470.097014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CxbuGdK04fW
Name (5Z)-3-[4-(1,3-BENZODIOXOL-5-YLMETHYLAMINO)-BUTYL]-5-(1,3-BENZODIOXOL-5-YLMETHYLENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
Compound Number 9H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22N2O5S2
InChI InChI=1S/C23H22N2O5S2/c26-22-21(11-15-3-5-17-19(9-15)29-13-27-17)32-23(31)25(22)8-2-1-7-24-12-16-4-6-18-20(10-16)30-14-28-18/h3-6,9-11,24H,1-2,7-8,12-14H2/b21-11-
InChIKey WYIXLSPKHOPIMD-NHDPSOOVSA-N
Literature Reference Author C.D.DAGO,C.N.AMBEU,W.K.COULIBALY,Y.A.BEKRO,J.MAMYRBEKOVA,A.D EFONTAINE,B.BARATTE,
Literature Reference Citation MOLECULES,20,12412(2015)
Literature Reference DOI 10.3390/molecules200712412
Molecular Weight 470.558 g/mol
Solvent CDCl3:TFA=98:2
Source File Reference UWPA4061